ethyl 6,7,8-trifluoro-1-(3,4-difluorophenyl)-1,4-dihydro-4-oxoquinoline-3-carboxylate | 106809-31-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: ethyl 6,7,8-trifluoro-1-(3,4-difluorophenyl)-1,4-dihydro-4-oxoquinoline-3-carboxylate
• 英文别名: Ethyl 1-(3,4-difluorophenyl)-6,7,8-trifluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylate；ethyl 1-(3,4-difluorophenyl)-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate
• CAS: 106809-31-8
• 化学式: C₁₈H₁₀F₅NO₃
• 分子量: 383.274
• InChiKey: WXKNGDPLKHHFGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  ethyl 6,7,8-trifluoro-1-(3,4-difluorophenyl)-1,4-dihydro-4-oxoquinoline-3-carboxylate 在 盐酸 、 溶剂黄146 作用下， 反应 4.0h， 以87.5%的产率得到6,7,8-trifluoro-1-(3,4-difluorophenyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
  参考文献：
  名称：

  Syntheses of quinolone hydrochloride enantiomers from synthons (R)- and (S)-2-methylpiperazine

  摘要：

  A series of R and S enantiomers of 7-(3-methylpiperazin-l-yl) quinolone derivatives were synthesized from (R)- and (S)tert-butyl 2-methylpiperazine-l-carboxylate and tested for their antibacterial activities on 14 kinds of bacteria. Although no distinct difference in in vitro antibacterial activities was observed, 2-64-fold difference between R and S enantiomers was observed in approximately 52% of cases. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.01.032
• 作为产物：
  描述：

  ethyl 3-ethoxy-2-(2,3,4,5-tetrafluorobenzoyl)acrylate 在 potassium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 11.0h， 生成 ethyl 6,7,8-trifluoro-1-(3,4-difluorophenyl)-1,4-dihydro-4-oxoquinoline-3-carboxylate
  参考文献：
  名称：

  Syntheses of quinolone hydrochloride enantiomers from synthons (R)- and (S)-2-methylpiperazine

  摘要：

  A series of R and S enantiomers of 7-(3-methylpiperazin-l-yl) quinolone derivatives were synthesized from (R)- and (S)tert-butyl 2-methylpiperazine-l-carboxylate and tested for their antibacterial activities on 14 kinds of bacteria. Although no distinct difference in in vitro antibacterial activities was observed, 2-64-fold difference between R and S enantiomers was observed in approximately 52% of cases. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.01.032

文献信息

• ——
  作者：GROHE K.、 ZEILER H. -J.、 METZGER K.

  DOI：——

  日期：——
• Syntheses of quinolone hydrochloride enantiomers from synthons (R)- and (S)-2-methylpiperazine
  作者：Bo Liu、Chun-Hao Yang、Guang-Yu Xu、Yong-Hong Zhu、Jing-Rong Cui、Xi-Han Wu、Yu-Yuan Xie

  DOI：10.1016/j.bmc.2005.01.032

  日期：2005.4

  A series of R and S enantiomers of 7-(3-methylpiperazin-l-yl) quinolone derivatives were synthesized from (R)- and (S)tert-butyl 2-methylpiperazine-l-carboxylate and tested for their antibacterial activities on 14 kinds of bacteria. Although no distinct difference in in vitro antibacterial activities was observed, 2-64-fold difference between R and S enantiomers was observed in approximately 52% of cases. (c) 2005 Elsevier Ltd. All rights reserved.